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Absorption spectra of <jats:bold>1<\/jats:bold> were characterized by UV\/Vis spectroscopy and calculated by using time\u2010dependent density functional theory (TD\u2010DFT), and the d orbitals of the ferrocene (Fc) moieties were shown to contribute to the occupied valence orbitals that were responsible for the photochromic behavior. <jats:bold>1<\/jats:bold> exhibited reversible photoisomerization in THF; however, photochromic behavior was not observed in dichloromethane. Analysis of redox potentials showed that the mixed\u2010valence state of <jats:bold>1<\/jats:bold> was more stable in dichloromethane than in THF. This is consistent with the observation that chemical oxidation led to an intervalence charge\u2010transfer (IVCT) band between the Fc moieties in the mixed\u2010valence state of <jats:bold>1<\/jats:bold> in dichloromethane, whereas such a band was not observed for one\u2010electron\u2010oxidized <jats:bold>1<\/jats:bold> in THF. Bis(pentamethylferrocenylethynyl)benzodimethyldihydropyrene (<jats:bold>2<\/jats:bold>) did not show photochromic behavior even in THF. The mixed\u2010valence state of <jats:bold>2<\/jats:bold> was much less stable than that of <jats:bold>1<\/jats:bold> in dichloromethane, and no obvious IVCT band was observed for one\u2010electron\u2010oxidized <jats:bold>2<\/jats:bold> in dichloromethane. The difference in the redox contribution of Fc and pentamethylferrocene (Me<jats:sub>5<\/jats:sub>Fc) to BzDHP played an important role for these redox and photochromic behaviors; this was supported by analysis of valence orbital energies from DFT calculations. Designing molecules that connect redox centers through the use of a photochromic linker with a redox potential close to that of the redox centers could constitute a useful approach for the production of photochromic redox\u2010active metal complexes with strong electronic communication.<\/jats:p>","DOI":"10.1002\/chem.201303456","type":"journal-article","created":{"date-parts":[[2013,11,26]],"date-time":"2013-11-26T15:29:34Z","timestamp":1385479774000},"page":"17314-17327","source":"Crossref","is-referenced-by-count":37,"title":["Comparative Study of Photochromic Ferrocene\u2010Conjugated Dimethyldihydropyrene Derivatives"],"prefix":"10.1002","volume":"19","author":[{"given":"Satoshi","family":"Muratsugu","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Masa\u2010aki","family":"Kishida","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ryota","family":"Sakamoto","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Hiroshi","family":"Nishihara","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2013,11,26]]},"reference":[{"key":"e_1_2_6_1_2","unstructured":"For recent reviews see:"},{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/om100959h"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2009.12.036"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2010.01.013"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1039\/B919418E"},{"key":"e_1_2_6_6_2","first-page":"171","volume-title":"Topics in Organometallic Chemistry, Vol.\u200528 (Molecular Organometallic Materials for Optics)","author":"Guerchais V.","year":"2010"},{"key":"e_1_2_6_7_2","first-page":"223","volume-title":"Molecular Electronic and Related Materials\u2013Control and Probe with Light","author":"Sakamoto R.","year":"2010"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1039\/b716947g"},{"key":"e_1_2_6_9_2","first-page":"79","volume-title":"Structure and Bonding, Vol.\u2005123 (Photofunctional Transition Metal Complexes)","author":"Kume S.","year":"2007"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.ccr.2004.11.009"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1246\/bcsj.77.407"},{"key":"e_1_2_6_12_2","volume-title":"Photochromism. 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